Found 306 results

Search term: MF = 'C_{16}H_{13}N_{3}O_{7}'
ChemSpider 2D Image | 3-{[2,5-Bis(methoxycarbonyl)phenyl]carbamoyl}-2-pyrazinecarboxylic acid | C16H13N3O7

3-{[2,5-Bis(methoxycarbonyl)phenyl]carbamoyl}-2-pyrazinecarboxylic acid

  • Molecular FormulaC16H13N3O7
  • Average mass359.290 Da
  • Monoisotopic mass359.075348 Da
  • ChemSpider ID23489181

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,4-Benzenedicarboxylic acid, 2-[[(3-carboxy-2-pyrazinyl)carbonyl]amino]-, 1,4-dimethyl ester [ACD/Index Name]
3-{[2,5-Bis(methoxycarbonyl)phenyl]carbamoyl}-2-pyrazincarbonsäure [German] [ACD/IUPAC Name]
3-{[2,5-Bis(methoxycarbonyl)phenyl]carbamoyl}-2-pyrazinecarboxylic acid [ACD/IUPAC Name]
Acide 3-{[2,5-bis(méthoxycarbonyl)phényl]carbamoyl}-2-pyrazinecarboxylique [French] [ACD/IUPAC Name]
1144473-95-9 [RN]
3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
3-{[2,5-bis(methoxycarbonyl)phenyl]carbamoyl}pyrazine-2-carboxylic acid

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 519.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.5±3.0 kJ/mol
    Flash Point: 268.2±30.1 °C
    Index of Refraction: 1.639
    Molar Refractivity: 87.5±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 1.23
    ACD/LogD (pH 5.5): -1.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.58
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 145 Å2
    Polarizability: 34.7±0.5 10-24cm3
    Surface Tension: 71.6±3.0 dyne/cm
    Molar Volume: 243.1±3.0 cm3

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